Pentachloro((chloromethyl)thio)benzene

Base Information

• Chemical Name: Pentachloro((chloromethyl)thio)benzene
• CAS No.: 62601-17-6
• Molecular Formula: C7H2 Cl6 S
• Molecular Weight: 330.877
• European Community (EC) Number: 263-623-9
• NSC Number: 65973
• DSSTox Substance ID: DTXSID80211657
• Nikkaji Number: J307.079D
• Wikidata: Q83086615
• Mol file: 62601-17-6.mol

Synonyms:62601-17-6;Pentachloro((chloromethyl)thio)benzene;PENTACHLORO[(CHLOROMETHYL)THIO]BENZENE;EINECS 263-623-9;NSC65973;C7H2Cl6S;NCIOpen2_008310;C7-H2-Cl6-S;SCHEMBL11767978;DTXSID80211657;NSC 65973;NSC-65973;1-[(Chloromethyl)thio]-2,3,4,5,6-pentachlorobenzene

Chemical Property of Pentachloro((chloromethyl)thio)benzene

Chemical Property:

• Vapor Pressure: 0.000177mmHg at 25°C
• Boiling Point: 339.8°C at 760 mmHg
• Flash Point: 150.6°C
• PSA: 25.30000
• Density: 1.76g/cm³
• LogP: 6.24200
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 329.797887
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl

Technology Process of Pentachloro((chloromethyl)thio)benzene

There total 3 articles about Pentachloro((chloromethyl)thio)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

pentachlorothiophenol (133-49-3) + chlorobromomethane (74-97-5) → Pentachloro[(chloromethyl)thio]benzene (62601-17-6)

Guidance literature:

With potassium hydroxide; benzyltriethylammonium bromide;

DOI:10.1021/jo00438a031

Reference yield:

pentachlorothioanisole (1825-19-0) → Pentachloro[(chloromethyl)thio]benzene (62601-17-6)

Guidance literature:

With chlorine;

Reference yield:

pentachlorothiophenol (133-49-3) + chlorobromomethane (74-97-5) → Pentachloro[(chloromethyl)thio]benzene (62601-17-6)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/jo01048a534

upstream raw materials:

pentachlorothioanisole

pentachlorothiophenol

chlorobromomethane